[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2-(4-tert-butylphenoxy)ethanoate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2-(4-tert-butylphenoxy)ethanoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 2-(4-tert-butylphenoxy)acetate CAS Name: 2-(4-tert-butylphenoxy)acetic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate Traditional Name: 2-(4-tert-butylphenoxy)acetic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)COC2=CC=C(C=C2)C(C)(C)C)SC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)COC2=CC=C(C=C2)C(C)(C)C)SC

InChI

InChI=1S/C23H27NO5S/c1-15(25)24-19-12-16(6-11-21(19)30-5)20(26)13-29-22(27)14-28-18-9-7-17(8-10-18)23(2,3)4/h6-12H,13-14H2,1-5H3,(H,24,25)